CID 361926

Nsc625400

Structural Information

Molecular Formula
C17H13ClO3
SMILES
CC1=CC(OC1=O)(C2=CC=C(C=C2)C3=CC=CC=C3Cl)O
InChI
InChI=1S/C17H13ClO3/c1-11-10-17(20,21-16(11)19)13-8-6-12(7-9-13)14-4-2-3-5-15(14)18/h2-10,20H,1H3
InChIKey
FSAOEXNRJZJMPP-UHFFFAOYSA-N
Compound name
5-[4-(2-chlorophenyl)phenyl]-5-hydroxy-3-methylfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.05533 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.06261 165.8
[M+Na]+ 323.04455 176.8
[M-H]- 299.04805 176.1
[M+NH4]+ 318.08915 183.9
[M+K]+ 339.01849 171.7
[M+H-H2O]+ 283.05259 159.8
[M+HCOO]- 345.05353 183.8
[M+CH3COO]- 359.06918 179.1
[M+Na-2H]- 321.03000 169.2
[M]+ 300.05478 169.3
[M]- 300.05588 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.